methyl 3-[4-[1-(4-cyanophenyl)-3-methyl-2-sulfanylidene-imidazol-4-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[1-(4-cyanophenyl)-3-methyl-2-sulfanylidene-imidazol-4-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[1-(4-cyanophenyl)-3-methyl-2-thioxo-imidazol-4-yl]phenyl]propanoate CAS Name: 3-[4-[1-(4-cyanophenyl)-3-methyl-2-sulfanylidene-4-imidazolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-cyanophenyl)-3-methyl-2-sulfanylideneimidazol-4-yl]phenyl]propanoate Traditional Name: 3-[4-[1-(4-cyanophenyl)-3-methyl-2-thioxo-4-imidazolin-4-yl]phenyl]propionic acid methyl ester Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN(C1=S)C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)CCC(=O)OC

Isomeric SMILES

CN1C(=CN(C1=S)C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)CCC(=O)OC

InChI

InChI=1S/C21H19N3O2S/c1-23-19(17-8-3-15(4-9-17)7-12-20(25)26-2)14-24(21(23)27)18-10-5-16(13-22)6-11-18/h3-6,8-11,14H,7,12H2,1-2H3